Geometry & MOs

Info

ID:	216506
PubChem CID:	85086336
Reduced:	BrO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	5.06
IP(EA), eV:	-10.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-ethenyl-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CC1(CCC=C(C1=O)Br)CCC(=O)OC

DOS

IR

Vibrations